N-(4-methylphenyl)-3-nitro-4-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzamide
Chemical Structure Depiction of
N-(4-methylphenyl)-3-nitro-4-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzamide
N-(4-methylphenyl)-3-nitro-4-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzamide
Compound characteristics
| Compound ID: | K781-3535 |
| Compound Name: | N-(4-methylphenyl)-3-nitro-4-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)SCC(N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1263 |
| logD: | 4.1253 |
| logSw: | -4.1953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.531 |
| InChI Key: | IMDIWPQPOTVEBC-UHFFFAOYSA-N |